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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite
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This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Mon Oct 01 2012
Journal Name
Iraqi Journal Of Physics
Effect of carbon nanotube and Zn particles addition on the some mechanical properties and thermal conductivity of unsaturated polyester
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In this research work a composite material was prepared contains a matrix which is unsaturated polyester resin (UPE) reinforced with carbon nanotube the percentage weight (0.1, 0.2, 0.4.0.5) %, and Zn particle the percentage weight (0.1, 0.2,0.4,0.5)%.
All sample were prepared by hand lay-up, process the mechanical tests contains hardness test, wear rate test, and the coefficient of thermal conductivity. The results showed a significant improvement in the properties of overlapping, Article containing carbon nano-tubes and maicroparticles of zinc because of its articles of this characteristics of high quality properties led to an, an increase in the coefficient of the rmalconductivity, and increase the hardness values with increased pe

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Publication Date
Mon Jun 01 2020
Journal Name
Iraqi Journal Of Physics
Influence of Sn doping ratio on the structural and optical properties of CdO films prepared by laser induced plasma
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In this work, we study the effect of doping Sn on the structural and optical properties of pure cadmium oxide films at different concentrations of Tin (Sn) (X=0.1,0.3 and 0.5) .The films prepared by using the laser-induced plasma at wavelength of laser 1064 nm and duration 9 ns under pressure reached to 2.5×10-2 mbar. The results of X-ray diffraction tests showed that the all prepared films  are polycrystalline. As for the topography of the films surface, it was measured using AFM , where the results showed that the grain size increases with an increase in the percentage of doping  in addition to an increase in the average roughness. The optical properties of all films have also been studied through the absorbance s

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Publication Date
Sun May 24 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of sodium fluoride on the properties of acrylic resin denture base material subjected to long-term water immersion
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Background: Fluoridated acrylic resin material can present more stable properties when compared with conventional one.The most widely used fluoride –containing substance added to dental resin materials is sodium fluoride (Naf). This study evaluated the effect of Naf in different concentration to the acrylic resin denture base material and its effect on tensile strength ,modules of elasticity with long –term water immersion (after 4 months immersion in de-ionized water) Materials and methods: Eighty specimens from dumbbells shaped metal pattern for tensile strength test were preparedaccording to ISO 527: 1993 plastic –Determination tensile properties ,in dimensions(60mm, 12mm, 3 ± 0.2mm) length, width and depth respec

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Publication Date
Wed Sep 01 2010
Journal Name
Materials & Design
Influence of glass addition and sintering temperature on the structure, mechanical properties and dielectric strength of high-voltage insulators
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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Study of the Optical Properties of 3MPA CdTe and 3MPA CdTe/CdSe Quantum Dots at PH 12 in Different Periods of Time
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This research aims to study the optical characteristics of semiconductor quantum dots (QDs) composed of CdTe and CdTe/CdSe core-shell structures. It utilizes the refluxed method to synthesize these nanoscale particles and aims to comprehend the growth process by monitoring their optical properties over varied periods of time and pH 12. Specifically, the optical evolution of these QDs is evaluated using photoluminescence (PL) and ultraviolet (UV) spectroscopy. For CdTe QDs, a consistent absorbance and peak intensity increase were observed across the spectrum over time. Conversely, CdTe/CdSe QDs displayed distinctive absorbance and peak intensity variations. These disparities might stem from irregularities in forming selenium (Se) layers a

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Publication Date
Sat Aug 01 2026
Journal Name
Journal Of Molecular Structure
Synthesis, multidimensional characterization, biological evaluation, and computational insights into novel N2O2-tetradentate Schiff base metal complexes as potent antimicrobial agents
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Publication Date
Fri Apr 01 2022
Journal Name
Journal Of Engineering
Effect of Distributing Steel Fibers on Some Properties of Slurry Infiltrated Fiber Concrete
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The slurry infiltrated fiber concrete (SIFCON) is nowadays considered a special type of high fiber content concrete; it is high strength and high performance material. This paper investigates the effect of spread steel fiber into the slurry mortar on some properties of SIFCON. According to fiber distribution, two sets were used in this investigation. The first set consisted of randomly distributing fibers inside the slurry. The second set was by placing the fibers in an orderly manner inside the slurry. Crimped steel fibers with an aspect ratio of (60) were used. Two different volume fractions percentage of (7% and 9%) by volume of mold were used in both sets for this study. Also, a w/c ratio of (0.35) and superplasticiz

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Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Physics
Effect of industrial powder on mechanical properties of glass fiber reinforced epoxy composite
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In the present study, composites were prepared by Hand lay-up molding and investigated. The composites constituents were epoxy resin as the matrix, 6% volume fractions of Glass Fibers (G.F) as reinforcement and 3%, 6% of industrial powder (Calcium Carbonate CaCO3, Potassium Carbonate K2CO3 and Sodium Carbonate Na2CO3) as filler. Density, water absorption, hardness test, flexural strength, shear stress measurements and tests were conducted to reveal their values for each type of composite material. The results showed that the non – reinforced epoxy have lower properties than composites material. Measured density results had show an incremental increase with volume fraction increase

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Publication Date
Thu Sep 01 2016
Journal Name
Journal Of Engineering
Effect of Lime Addition Methods on Performance Related Properties of Asphalt Concrete Mixture
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In the recent years, some of the newly constructed asphalt concrete pavements in Baghdad as well as other cities across Iraq showed premature failures with consequential negative impact on both roadway safety and economy. Frequently, load associated mode of failure (rutting and fatigue) as well as, occasionally, moisture damage in some poorly drained sections are the main failure types found in those newly constructed road.

In this research, hydrated lime was introduced into asphalt concrete mixtures of wearing course in two methods. The first one was the addition of dry lime on dry aggregate and the second one was the addition of dry lime on saturated surface dry aggregate moisturized by 2.0 to 3.0 percent of wa

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Publication Date
Sun Jul 09 2023
Journal Name
Journal Of Engineering
Effect of high and low density polyethylene on some mechanical properties of concrete
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The increasing use of plastics in various aspects of modern life resulted in the availability of enormous amount of wastes, including a negative effect on the environment and humans. So it is necessary to find solutions to deal with these wastes and ensure to use them as solutions to use in concrete mix . In this research the production of concrete containing high and low density polyethylene has been used by (5, 10, 15)% as a replacement of part of the volume of sand, so as to obtain concrete good compressive strength as well as other benefits such as improved possibility of pumping concrete and reduce the loss of concrete for workability polymer is a material that is non-absorbable of water . It is also intended to dispose of these was

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